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  1. Third-Parties
  2. MatprojStructure
  3. mp-531882

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-531882
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 63
  • Number of elements: 3
  • Element list: ['U', 'Pd', 'S']
  • Chemical System: Pd-S-U
  • Density: 7.271329580603487
  • Atomic Density: 0.05258319826082364
  • Unit Cell Volume: 1198.1013343370034
  • Molar Volume: 11.452595047811519
  • Full Formula: U7 Pd24 S32
  • Reduced Formula: U7(Pd3S4)8
  • Formula Anonymous: A7B24C32
  • Spacegroup Number: 204
  • Spacegroup Symbol: Im-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -396.03277119
  • Final energy per atom: -6.286234463333334
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.